Related papers: Self-interaction correction schemes for non-collin…
One-electron self-interaction and an incorrect asymptotic behavior of the Kohn-Sham exchange-correlation potential are among the most prominent limitations of many present-day density functionals. However, a one-electron…
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in modern density functional approximations. This issue is…
We cure the lack of spin torque in semilocal exchange-correlation (XC) functionals by treating XC effects in the framework of spin-current-density-functional theory (SCDFT), and present the implementation of the first kind of this novel…
We analyze the effective electron-electron interaction in a two dimensional polarized paramagnetic system. The spin degree of freedom, s, is manifestly present in the expressions of spin dependent local field factors that describe the short…
Non-resonant circularly polarized electromagnetic radiation can exert torques on magnetization by the Inverse Faraday Effect (IFE). Here we discuss the enhancement of IFE by spin-orbit interactions (SOI). We illustrate the principle by…
A spin-current density-functional theory (SCDFT) is introduced, which takes into account currents of the spin-density and thus currents of the magnetization in addition to the electron density, the non-collinear spin-density, and the…
The exchange interaction between electrons and magnetic spins is considerably enhanced near interfaces, in magnetic multilayers. As a result, a dc current can be used to generate spin oscillations. We review theory and experimental…
We study diffusive electron-electron interaction correction to conductivity by analyzing simultaneously $\rho_{xx}$ and $\rho_{xy}$ for disordered 2D electron systems in Si in tilted magnetic field. Tilting the field is shown to be a…
When time-reversal symmetry is weakly broken and interactions are neglected, the surface of a $Z_{2}$ topological insulator supports a half-quantized Hall conductivity $\sigma_{S} = e^{2}/(2h)$. A surface Hall conductivity in an insulator…
We study the non-collinear exchange coupling across a trilayer magnetic junction consisting of two ferromagnets separated by a thin dilute magnetic semiconductor containing itinerant carriers with finite spin relaxation. It is remarkable…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
We present an extension of the spin-adapted configuration-interaction method for the computation of four electrons in a quasi two-dimensional quantum dot. By a group-theoretical decomposition of the basis set and working with relative and…
We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of freedom is treated with relativistic…
The electron spins of semiconductor defects can have complex interactions with their host, particularly in polar materials like SiC where electrical and mechanical variables are intertwined. By combining pulsed spin resonance with ab-initio…
We study electric polarization and nonlinear optical effects in spin systems with broken inversion symmetry. We apply strong coupling expansion to the underlying electronic Hamiltonians, and systematically derive expressions for electric…
In the absence of interactions the conductivity of chiral separation effect (CSE) in the system of massless fermions is given by topological expression. Interactions might change the pattern drastically. However, we prove that the CSE…
Using density functional theory, we investigate fluctuations of the ground state energy of spin-polarized, disordered quantum dots in the metallic regime. To compare to experiment, we evaluate the distribution of addition energies and find…
A theoretical study of spin dynamics in non-relativistic particle beams with interacting angular momenta traversing static, spatially varying magnetic fields is presented. The computational framework evaluates sinusoidal magnetic field…
We examine whether the self interaction correction method by Harrison, which does not introduce the spherical single particle density approximation to energy functional, can be applied to Na clusters. We show that it does not work well,…
We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…